[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone

C19H21N5OS — CID 97382203

IUPAC[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
SMILESCN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C19H21N5OS/c1-22(10-15-3-2-5-20-9-15)11-17-12-23-6-7-24(13-18(23)21-17)19(25)16-4-8-26-14-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyCHVTXOFBLMTIPO-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.63
Rot. Bonds5

About [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone

[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone (PubChem CID 97382203) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
PubChem CID97382203
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
SMILESCN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C19H21N5OS/c1-22(10-15-3-2-5-20-9-15)11-17-12-23-6-7-24(13-18(23)21-17)19(25)16-4-8-26-14-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyCHVTXOFBLMTIPO-UHFFFAOYSA-N
XLogP2.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382142
[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-3-ylmethanone
CID 97467406
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171693574
4-[methyl(pyridin-3-ylmethyl)amino]-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 131657853
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664653
1-(furan-2-yl)-N-methyl-N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171688741
[(3aS,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97376850
[(3aR,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97376851
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
1-methyl-N-[[7-(pyridazine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382147
(3aS,6aS)-5-(pyridin-3-ylmethyl)-2-(thiophene-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124807733
[(3aS,6aR)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-thiophen-3-ylmethanone
CID 124792616

Frequently Asked Questions

What is the IUPAC name of [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone (CID 97382203) is [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone is CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2.
What is the InChIKey of [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
The InChIKey is CHVTXOFBLMTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-22(10-15-3-2-5-20-9-15)11-17-12-23-6-7-24(13-18(23)21-17)19(25)16-4-8-26-14-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3.
What are the key properties of [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone has a molecular weight of 367.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97382203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).